Calcium in PDB 1j0h: Crystal Structure of Bacillus Stearothermophilus Neopullulanase

All present enzymatic activity of Crystal Structure of Bacillus Stearothermophilus Neopullulanase:
3.2.1.135;

The structure of Crystal Structure of Bacillus Stearothermophilus Neopullulanase, PDB code: 1j0h was solved by H.Hondoh, T.Kuriki, Y.Matsuura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.713, 72.762, 123.640, 90.00, 90.84, 90.00
R / Rfree (%)	16.3 / 20.3

The structure of Crystal Structure of Bacillus Stearothermophilus Neopullulanase also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Bacillus Stearothermophilus Neopullulanase (pdb code 1j0h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Bacillus Stearothermophilus Neopullulanase, PDB code: 1j0h:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Bacillus Stearothermophilus Neopullulanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Bacillus Stearothermophilus Neopullulanase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:24.0 occ:1.00 OD2 A:ASP174 2.2 16.2 1.0 OD1 A:ASN147 2.3 13.8 1.0 O A:HOH1427 2.3 19.4 1.0 O A:GLY172 2.3 13.9 1.0 OG A:SER153 2.4 15.5 1.0 O A:ASN149 2.5 15.9 1.0 CG A:ASN147 3.3 13.9 1.0 C A:ASN149 3.3 16.4 1.0 CG A:ASP174 3.3 13.6 1.0 C A:GLY172 3.4 14.6 1.0 CB A:SER153 3.6 17.7 1.0 CA A:SER153 3.8 18.3 1.0 N A:SER153 3.8 18.9 1.0 CB A:ASP174 3.9 13.9 1.0 N A:PRO150 4.0 17.5 1.0 CA A:GLY172 4.0 14.4 1.0 N A:ASN149 4.0 16.0 1.0 CA A:PRO150 4.0 18.3 1.0 ND2 A:ASN147 4.1 14.6 1.0 CB A:ASN147 4.2 14.1 1.0 CA A:ASN149 4.2 16.2 1.0 CA A:ASN147 4.2 15.3 1.0 CG1 A:ILE152 4.2 16.3 1.0 OD1 A:ASP174 4.3 15.5 1.0 C A:GLY173 4.5 12.0 1.0 C A:ILE152 4.5 18.2 1.0 C A:PRO150 4.5 18.9 1.0 O A:GLY173 4.5 13.1 1.0 N A:GLY173 4.5 12.4 1.0 C A:ASN147 4.6 15.0 1.0 O A:HOH1410 4.6 22.2 1.0 CB A:ASN149 4.6 17.0 1.0 N A:ASP174 4.6 11.8 1.0 O A:PRO150 4.7 17.7 1.0 N A:GLY148 4.7 15.5 1.0 O A:HIS218 4.7 15.1 1.0 CA A:GLY173 4.8 12.1 1.0 CA A:ASP174 4.9 12.4 1.0 N A:ILE152 4.9 18.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Bacillus Stearothermophilus Neopullulanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Bacillus Stearothermophilus Neopullulanase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca602 b:26.0 occ:1.00 O B:HOH1415 2.2 23.6 1.0 OG B:SER153 2.3 19.3 1.0 OD1 B:ASN147 2.3 17.5 1.0 O B:GLY172 2.3 13.3 1.0 OD2 B:ASP174 2.4 15.5 1.0 O B:ASN149 2.6 20.4 1.0 CG B:ASN147 3.3 19.0 1.0 C B:ASN149 3.4 20.5 1.0 C B:GLY172 3.4 13.6 1.0 CB B:SER153 3.5 19.1 1.0 CG B:ASP174 3.5 16.2 1.0 CA B:SER153 3.7 19.9 1.0 N B:SER153 3.7 20.3 1.0 CA B:GLY172 3.9 12.5 1.0 CB B:ASP174 4.0 15.5 1.0 N B:PRO150 4.0 21.6 1.0 N B:ASN149 4.1 19.9 1.0 CA B:PRO150 4.1 21.4 1.0 ND2 B:ASN147 4.1 16.1 1.0 CB B:ASN147 4.2 16.9 1.0 CA B:ASN147 4.2 17.9 1.0 CA B:ASN149 4.2 20.9 1.0 CG1 B:ILE152 4.3 18.8 1.0 C B:ILE152 4.5 19.7 1.0 OD1 B:ASP174 4.5 15.2 1.0 C B:GLY173 4.5 13.5 1.0 N B:GLY173 4.5 13.6 1.0 O B:GLY173 4.6 13.7 1.0 C B:PRO150 4.6 20.6 1.0 C B:ASN147 4.6 19.4 1.0 CB B:ASN149 4.7 21.0 1.0 O B:HIS218 4.7 16.7 1.0 N B:ASP174 4.7 14.2 1.0 O B:HOH1256 4.7 24.8 1.0 N B:GLY148 4.8 20.1 1.0 O B:PRO150 4.8 20.7 1.0 CA B:GLY173 4.9 13.3 1.0 N B:ILE152 4.9 20.5 1.0

H.Hondoh, T.Kuriki, Y.Matsuura. Three-Dimensional Structure and Substrate Binding of Bacillus Stearothermophilus Neopullulanase J.Mol.Biol. V. 326 177 2003.
ISSN: ISSN 0022-2836
PubMed: 12547200
DOI: 10.1016/S0022-2836(02)01402-X